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Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer-aided drug design approach

Ossama Daouı, Souad Elkhattabi, Samir Chtita

2022Structural Chemistry42 citationsDOIOpen Access PDF

Topics & Concepts

ChemistryQuantitative structure–activity relationshipIn silicoDocking (animal)StereochemistrySmall moleculeLead compoundCombinatorial chemistryRational designComputational biologyProtein Data Bank (RCSB PDB)MoleculeIn vitroBiochemistryNanotechnologyOrganic chemistryNursingMedicineMaterials scienceBiologyGeneComputational Drug Discovery MethodsSynthesis and biological activityCancer therapeutics and mechanisms
Rational identification of small molecules derived from 9,10-dihydrophenanthrene as potential inhibitors of 3CLpro enzyme for COVID-19 therapy: a computer-aided drug design approach | Litcius